ethyl 1-(3-bromanyl-4-butoxy-phenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-(3-bromanyl-4-butoxy-phenyl)carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-(3-bromo-4-butoxy-benzoyl)piperidine-4-carboxylate CAS Name: 1-[(3-bromo-4-butoxyphenyl)-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-bromo-4-butoxybenzoyl)piperidine-4-carboxylate Traditional Name: 1-(3-bromo-4-butoxy-benzoyl)isonipecotic acid ethyl ester Formula: C19H26BrNO4 MolecularWeight: 412.31804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C(=O)OCC)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C(=O)OCC)Br

InChI

InChI=1S/C19H26BrNO4/c1-3-5-12-25-17-7-6-15(13-16(17)20)18(22)21-10-8-14(9-11-21)19(23)24-4-2/h6-7,13-14H,3-5,8-12H2,1-2H3